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768-05-8

Basic Information
CAS No.: 768-05-8
Name: Pyrazinoic acid hydrazide
Article Data: 58
Molecular Structure:
Molecular Structure of 768-05-8 (Pyrazinoic acid hydrazide)
Formula: C5H6N4O
Molecular Weight: 138.129
Synonyms: Pyrazinecarboxylicacid, hydrazide (7CI,8CI,9CI);2-(Hydrazinocarbonyl)pyrazine;2-Pyrazinoylhydrazide;Idv 128;NSC 8810;NSC 88100;Pyrazine-2-carbohydrazide;Pyrazine-2-carboxylic hydrazide;Pyrazinecarbohydrazide;Pyrazinic acidhydrazide;Pyrazinoic acid hydrazide;Pyrazinylcarbonylhydrazine;
Density: 1.335g/cm3
Melting Point: 169 °C
PSA: 80.90000
LogP: 0.17130
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  • Pyrazinoic acid hydrazide768-05-8

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    Pyrazinoic acid hydrazide

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Specification

The Pyrazinoic acid hydrazide, with CAS registry number 768-05-8, belongs to the following product categories: (1)Amide; (2)Pyrazines, Pyrimidines & Pyridazines. It has the systematic name of pyrazine-2-carbohydrazide. And its IUPAC name is the same one. And the chemical formula of this chemical is C5H6N4O.

Physical properties of Pyrazinoic acid hydrazide: (1)ACD/LogP: -2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 4.02; (6)ACD/KOC (pH 7.4): 4.01; (7)#H bond acceptors: 5; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 49.33 Å2; (11)Index of Refraction: 1.591; (12)Molar Refractivity: 34.96 cm3; (13)Molar Volume: 103.3 cm3; (14)Polarizability: 13.85×10-24cm3; (15)Surface Tension: 68.9 dyne/cm.

Preparation: this chemical can be prepared by pyrazine-2-carbonyl chloride. This reaction will need reagent hydrazine and solvent CH2Cl2. The reaction time is 2 hour(s). The yield is about 87%.

Uses of Pyrazinoic acid hydrazide: it can be used to produce 2-(5-m-tolyl-1H-[1,2,4]triazol-3-yl)-pyrazine. The reaction time is 5 hour(s) with reaction temperature of 180 ℃. The yield is about 85%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NN)c1nccnc1
(2)InChI: InChI=1/C5H6N4O/c6-9-5(10)4-3-7-1-2-8-4/h1-3H,6H2,(H,9,10)
(3)InChIKey: OHFIJHDYYOCZME-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C5H6N4O/c6-9-5(10)4-3-7-1-2-8-4/h1-3H,6H2,(H,9,10)
(5)Std. InChIKey: OHFIJHDYYOCZME-UHFFFAOYSA-N